ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V006-8825 |
| Compound Name: | ethyl 2-{[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 445.97 |
| Molecular Formula: | C22 H24 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5316 |
| logD: | 5.5315 |
| logSw: | -5.7405 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.067 |
| InChI Key: | SHTIAQCFJWETBP-IBGZPJMESA-N |